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BioLiP

PDB CCD ID: UZP
Number of entries in BioLiP: 1
Chemical formula: C16 H22 Cl2 N2 O3
InChI: InChI=1S/C16H22Cl2N2O3/c1-2-3-4-7-19-15(21)8-11(9-16(22)20-23)13-6-5-12(17)10-14(13)18/h5-6,10-11,23H,2-4,7-9H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKey: FHIDAHOTTVOIDA-LLVKDONJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(Cl)cc1Cl
OpenEye OEToolkits 2.0.7CCCCCNC(=O)CC(CC(=O)NO)c1ccc(cc1Cl)Cl
OpenEye OEToolkits 2.0.7CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl)Cl
CACTVS 3.385CCCCCNC(=O)C[CH](CC(=O)NO)c1ccc(Cl)cc1Cl
ACDLabs 12.01c1c(cc(c(C(CC(=O)NCCCCC)CC(=O)NO)c1)Cl)Cl
Name:(3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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